SCHEMBL23401877

SCHEMBL23401877

Cc1ccc(-c2c(C)nn(-c3ccc(C)cc3)c2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.47
RAB9A P51151 10/20 0.47
NPC1 O15118 9/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
TP53 P04637 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 4/20 0.41
STAT1 P42224 1/20 0.41
SRC P12931 1/20 0.40
BRAF P15056 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23398925 0.92 SMN1; SMN2 (0.55) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL23402107 0.92 NPC1 (0.55) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL23402232 0.88 CYP1A2 (0.45) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL23399418 0.86 SRC (0.50) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL23399528 0.84 ALDH1A1 (0.48) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL23402138 0.83 HEXA (0.42) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL14132909 0.82 SMN1; SMN2 (0.65) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL23399683 0.80 CCNA2 (0.49) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL23403434 0.80 CCNA2 (0.49) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL23401391 0.79 L3MBTL1 (0.44) SMN1; SMN2RAB9ANPC1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed